ethyl 4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(4-isobutyryl-3-methyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H34N4O4/c1-6-11-20-21(26(33)34-7-2)22(28-23(27-20)19-12-9-8-10-13-19)25(32)29-14-15-30(18(5)16-29)24(31)17(3)4/h8-10,12-13,17-18H,6-7,11,14-16H2,1-5H3